Recent Theoretical Advances in Semiconductor Epitaxy: Modeling the Evolution of Complex Surfaces

Mark Gyure
HRL Laboratories
Computational Physics

Devices based on III-V semiconductor materials are currently the
workhorse for high performance, high-frequency electronic and
optoelectronic applications. Modeling the growth of these materials is
challenging theoretical undertaking, but recent advances in atomistic
and continuum modeling techniques have brought this goal within
reach. In this talk, I will describe the approaches currently being used
to develop ab initio-based atomistic models for the growth of these
materials which necessarily must account for the complexity of III-V
surfaces including surface reconstructions and the zincblende lattice
structure. I will describe in detail a growth model for InAs being
developed at HRL which has been successful in capturing all known
experimental trends. I will also describe the ongoing development of a
continuum model for strained layer epitaxy which holds promise for
describing ordering and alloy segregation effects within growth
simulations.


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